About 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide (PubChem CID 684458) has the molecular formula C19H17NO3
and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide.
Molecular Properties
| Compound Name | 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide |
| PubChem CID | 684458 |
| Molecular Formula | C19H17NO3 |
| Molecular Weight | 307.35 g/mol |
| Exact Mass | 307.12 |
| IUPAC Name | 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide |
| SMILES | COc1ccc(NC(=O)c2ccc3ccccc3c2OC)cc1 |
| InChI | InChI=1S/C19H17NO3/c1-22-15-10-8-14(9-11-15)20-19(21)17-12-7-13-5-3-4-6-16(13)18(17)23-2/h3-12H,1-2H3,(H,20,21) |
| InChIKey | AHRKSYJJWYQHEX-UHFFFAOYSA-N |
| XLogP | 4.11 |
| TPSA | 47.56 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 23 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 307.35 |
| LogP ≤ 5 | 4.11 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The IUPAC name of 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide (CID 684458) is 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The canonical SMILES for 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide is COc1ccc(NC(=O)c2ccc3ccccc3c2OC)cc1.
What is the InChIKey of 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
The InChIKey is AHRKSYJJWYQHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-15-10-8-14(9-11-15)20-19(21)17-12-7-13-5-3-4-6-16(13)18(17)23-2/h3-12H,1-2H3,(H,20,21).
What are the key properties of 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide?
1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 684458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).